morpholin-2-yl 2-hydroxypropane-1-sulfonate

C7H15NO5S — CID 174588483

IUPACmorpholin-2-yl 2-hydroxypropane-1-sulfonate
SMILESCC(O)CS(=O)(=O)OC1CNCCO1
InChIInChI=1S/C7H15NO5S/c1-6(9)5-14(10,11)13-7-4-8-2-3-12-7/h6-9H,2-5H2,1H3
InChIKeyCFCSCPJGVNKBNC-UHFFFAOYSA-N
MW225.27 g/mol
LogP-1.34
Rot. Bonds4

About morpholin-2-yl 2-hydroxypropane-1-sulfonate

morpholin-2-yl 2-hydroxypropane-1-sulfonate (PubChem CID 174588483) has the molecular formula C7H15NO5S and a molecular weight of 225.27 g/mol. Its IUPAC name is morpholin-2-yl 2-hydroxypropane-1-sulfonate.

Molecular Properties

Compound Namemorpholin-2-yl 2-hydroxypropane-1-sulfonate
PubChem CID174588483
Molecular FormulaC7H15NO5S
Molecular Weight225.27 g/mol
Exact Mass225.07
IUPAC Namemorpholin-2-yl 2-hydroxypropane-1-sulfonate
SMILESCC(O)CS(=O)(=O)OC1CNCCO1
InChIInChI=1S/C7H15NO5S/c1-6(9)5-14(10,11)13-7-4-8-2-3-12-7/h6-9H,2-5H2,1H3
InChIKeyCFCSCPJGVNKBNC-UHFFFAOYSA-N
XLogP-1.34
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze morpholin-2-yl 2-hydroxypropane-1-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of morpholin-2-yl 2-hydroxypropane-1-sulfonate?
The IUPAC name of morpholin-2-yl 2-hydroxypropane-1-sulfonate (CID 174588483) is morpholin-2-yl 2-hydroxypropane-1-sulfonate.
What is the SMILES notation for morpholin-2-yl 2-hydroxypropane-1-sulfonate?
The canonical SMILES for morpholin-2-yl 2-hydroxypropane-1-sulfonate is CC(O)CS(=O)(=O)OC1CNCCO1.
What is the InChIKey of morpholin-2-yl 2-hydroxypropane-1-sulfonate?
The InChIKey is CFCSCPJGVNKBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO5S/c1-6(9)5-14(10,11)13-7-4-8-2-3-12-7/h6-9H,2-5H2,1H3.
What are the key properties of morpholin-2-yl 2-hydroxypropane-1-sulfonate?
morpholin-2-yl 2-hydroxypropane-1-sulfonate has a molecular weight of 225.27 g/mol, XLogP of -1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-2-yl 2-hydroxypropane-1-sulfonate is sourced from PubChem (CID 174588483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).